(2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C15H19N3O2 — CID 129385251

IUPAC(2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2nc3c(c(N)c2cc1OC)C[C@H](CN)C3
InChIInChI=1S/C15H19N3O2/c1-19-13-5-10-12(6-14(13)20-2)18-11-4-8(7-16)3-9(11)15(10)17/h5-6,8H,3-4,7,16H2,1-2H3,(H2,17,18)/t8-/m0/s1
InChIKeyBVXSYKNZKMYRQC-QMMMGPOBSA-N
MW273.34 g/mol
LogP1.51
Rot. Bonds3

About (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

(2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 129385251) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID129385251
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2nc3c(c(N)c2cc1OC)C[C@H](CN)C3
InChIInChI=1S/C15H19N3O2/c1-19-13-5-10-12(6-14(13)20-2)18-11-4-8(7-16)3-9(11)15(10)17/h5-6,8H,3-4,7,16H2,1-2H3,(H2,17,18)/t8-/m0/s1
InChIKeyBVXSYKNZKMYRQC-QMMMGPOBSA-N
XLogP1.51
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 129385251) is (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1cc2nc3c(c(N)c2cc1OC)C[C@H](CN)C3.
What is the InChIKey of (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is BVXSYKNZKMYRQC-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-13-5-10-12(6-14(13)20-2)18-11-4-8(7-16)3-9(11)15(10)17/h5-6,8H,3-4,7,16H2,1-2H3,(H2,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
(2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 273.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 129385251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).